2,2'-Anhydro-1-beta-D-arabinofuranosylcytosine hydrochloride(10212-25-6) IR2
Molecular FormulaC9H12ClN3O4
Molecular Weight261.66
InChIInChI=1/C9H11N3O4.ClH/c10-5-1-2-12-8-7(16-9(12)11-5)6(14)4(3-13)15-8;/h1-2,4,6-8,10,13-14H,3H2;1H/t4-,6-,7+,8-;/s3
InChIKey KZOWNALBTMILAP-HLZDQNJPNA-N
Smiles[C@@H]12O[C@H](CO)[C@@H](O)[C@@H]1OC1=NC(=N)C=CN21.Cl |&1:0,2,5,7,r|
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MassMS2014-05026CW cyclocytidine hydrochloride C9H11N3O4 HCl (Mass of molecular ion: 225)
Source Temperature: 240 °C Sample Temperature: 200 °C Direct, 70 eV
14.0 1.4 15.0 7.7 16.0 1.9 17.0 4.9 18.0 25.1 19.0 3.9 26.0 5.1 27.0 12.3 28.0 29.4 29.0 28.8 30.0 4.4 31.0 29.9 32.0 1.3 35.0 17.1 36.0 92.5 37.0 6.5 38.0 32.5 39.0 11.9 40.0 20.5 41.0 30.1 42.0 22.5 43.0 24.8 44.0 8.4 45.0 5.5 47.0 2.1 51.0 2.7 52.0 23.2 53.0 13.0 54.0 12.1 55.0 17.0 56.0 7.0 57.0 14.3 58.0 1.7 59.0 1.6 60.0 4.3 61.0 4.9 65.0 2.5 66.0 11.9 67.0 24.9 68.0 37.5 69.0 37.9 70.0 14.0 71.0 11.2 72.0 3.6 73.0 9.3 74.0 1.1 78.0 3.0 79.0 11.5 80.0 7.2 81.0 11.9 82.0 5.5 83.0 20.3 84.0 21.2 85.0 14.2 86.0 3.1 87.0 1.0 92.0 1.6 93.0 7.4 94.0 22.7 95.0 30.9 96.0 12.4 97.0 12.1 98.0 2.9 105.0 2.7 106.0 4.9 107.0 9.7 108.0 10.9 109.0 6.4 110.0 6.7 111.0 68.2 112.0 83.1 113.0 11.5 114.0 2.2 115.0 3.9 119.0 1.1 120.0 2.7 121.0 4.3 122.0 5.5 123.0 4.7 124.0 12.9 125.0 8.0 126.0 1.3 132.0 2.9 133.0 1.4 134.0 3.6 135.0 42.7 136.0 100.0 137.0 14.3 138.0 4.4 139.0 1.6 140.0 5.8 141.0 1.2 143.0 2.9 148.0 12.1 149.0 5.9 150.0 3.1 151.0 12.0 152.0 4.3 153.0 13.3 154.0 2.9 160.0 1.2 161.0 1.5 162.0 1.9 163.0 1.2 164.0 7.9 165.0 3.5 166.0 5.3 167.0 1.6 176.0 9.4 177.0 4.5 178.0 6.6 179.0 1.5 180.0 1.1 190.0 1.1 194.0 16.8 195.0 3.0 207.0 1.4 208.0 2.2 225.0 43.7 226.0 7.6 227.0 1.2
KBr disc
nujol mull
